2-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-N-(1-phenylethyl)benzamide

Systemtic Name: 2-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-N-(1-phenylethyl)benzamide Openeye Name: 2-[[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]-N-(1-phenylethyl)benzamide CAS Name: 2-[[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-(1-phenylethyl)benzamide Traditional Name: 2-[[2-[[2-keto-2-(p-toluidino)ethyl]thio]acetyl]amino]-N-(1-phenylethyl)benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3S/c1-18-12-14-21(15-13-18)28-24(30)16-33-17-25(31)29-23-11-7-6-10-22(23)26(32)27-19(2)20-8-4-3-5-9-20/h3-15,19H,16-17H2,1-2H3,(H,27,32)(H,28,30)(H,29,31)